1-(Benzyloxy)-2-bromobenzene

Base Information

• Chemical Name: 1-(Benzyloxy)-2-bromobenzene
• CAS No.: 31575-75-4
• Molecular Formula: C13H11BrO
• Molecular Weight: 263.134
• Hs Code.: 2909309090
• European Community (EC) Number: 608-640-8
• DSSTox Substance ID: DTXSID30340128
• Nikkaji Number: J314.133K
• Wikidata: Q82109599
• Mol file: 31575-75-4.mol

Synonyms:1-(Benzyloxy)-2-bromobenzene;31575-75-4;2-Benzyloxybromobenzene;1-Bromo-2-benzyloxybenzene;2-(Benzyloxy)bromobenzene;1-bromo-2-phenylmethoxybenzene;Benzyl 2-bromophenyl ether;o-benzyloxyphenylbromide;2-benzyloxy-bromobenzene;2-Benzyloxy Bromobenzene;2-bromo-O-benzyl phenol;2-benzyloxybromo- benzene;1-benzyloxy-2-bromobenzene;2-benzyloxy-1-bromobenzene;1-bromo-2-benzyloxy-benzene;2-benzyloxy-1-bromo benzene;2-Benzyloxybromobenzene, 96%;SCHEMBL1081189;DTXSID30340128;1-(Benzyloxy)-2-bromobenzene #;1-Bromo-2-(phenylmethoxy)benzene;AB3095;AKOS000202181;AM86857;CS-W012468;BS-22640;FT-0650153;EN300-59940;A820917;J-018477;Z26285432

Chemical Property of 1-(Benzyloxy)-2-bromobenzene

Chemical Property:

• Vapor Pressure: 0.000236mmHg at 25°C
• Refractive Index: n20/D >1.6060(lit.)
• Boiling Point: 335.2 °C at 760 mmHg
• Flash Point: 138.2 °C
• PSA: 9.23000
• Density: 1.382 g/cm³
• LogP: 4.02810
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.99933
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Benzyloxy)bromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2Br
• Uses: 2-(Benzyloxy)broMobenzene can be used in the preparation of different inhibitors.

Technology Process of 1-(Benzyloxy)-2-bromobenzene

There total 11 articles about 1-(Benzyloxy)-2-bromobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-hydroxybromobenzene (95-56-7) + benzyl chloride (100-44-7) → 2-bromophenyl benzyl ether (31575-75-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 12h;

Reference yield: 100.0%

2-hydroxybromobenzene (95-56-7) + benzyl bromide (100-39-0) → 2-bromophenyl benzyl ether (31575-75-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 70 ℃; for 3h;

DOI:10.1021/acs.jmedchem.7b00253

Reference yield: 95.0%

o-fluorobromobenzene (1072-85-1) + benzyl alcohol (100-51-6,185532-71-2) → 2-bromophenyl benzyl ether (31575-75-4)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; sodium hydride; at 100 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.06.029

upstream raw materials:

2-hydroxybromobenzene

benzyl chloride

benzyl bromide

1-Bromo-2-iodobenzene

Downstream raw materials:

1-(benzyloxy)-2-ethynylbenzene

3-(2-(benzyloxy)phenyl)oxetan-3-ol

diethyl 2-(2-(benzyloxy)phenyl)malonate

diethyl 2-(2-(benzyloxy)phenyl)-2-methylmalonate

Refernces

• 1、 Bessières, Maxime,Plebanek, El?bieta,Chatterjee, Payel,Shrivastava-Ranjan, Punya,Flint, Mike,Spiropoulou, Christina F.,Warszycki, Dawid,Bojarski, Andrzej J.,Roy, Vincent,Agrofoglio, Luigi A.. "Design, synthesis and biological evaluation of 2-substituted-6-[(4-substituted-1-piperidyl)methyl]-1H-benzimidazoles as inhibitors of ebola virus infection". . . Retrieved 2021/02/06.
• 2、 Aylott, Helen E.,Atkinson, Stephen J.,Bamborough, Paul,Bassil, Anna,Chung, Chun-Wa,Gordon, Laurie,Grandi, Paola,Gray, James R. J.,Harrison, Lee A.,Hayhow, Thomas G.,Messenger, Cassie,Mitchell, Darren,Phillipou, Alexander,Preston, Alex,Prinjha, Rab K.,Rianjongdee, Francesco,Rioja, Inmaculada,Seal, Jonathan T.,Wall, Ian D.,Watson, Robert J.,Woolven, James M.,Demont, Emmanuel H.. "Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors". . p. 3249 - 3281. Retrieved 2021/04/06.